SCHEMBL21319

SCHEMBL21319

CC(CO)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
TSHR P16473 2/20 0.56
HCAR3 P49019 12/20 0.56
ACE2 Q9BYF1 2/20 0.55
LMNA P02545 1/20 0.53
PDK1 Q15118 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2949996 0.85 VCAM1 (0.54) HCAR3LMNAPDK1MEN1KMT2A
SCHEMBL27589008 0.85 CASP6 (0.53) CASP6TSHRHCAR3LMNAPDK1
SCHEMBL7573511 0.84 PDK1 (0.70) CASP6TSHRHCAR3ACE2LMNA
SCHEMBL23752094 0.83 CASP6 (0.62) CASP6TSHRHCAR3LMNAPDK1
SCHEMBL16285736 0.82 CASP6 (0.60) CASP6TSHRHCAR3LMNAPDK1
SCHEMBL27481317 0.82 CASP6 (0.60) CASP6TSHRHCAR3LMNAPDK1
SCHEMBL4528943 0.82 CASP6 (0.60) CASP6TSHRHCAR3LMNAPDK1
SCHEMBL2947165 0.81 PDK1 (0.46) HCAR3LMNAPDK1KMT2A
SCHEMBL29887339 0.81 PDK1 (0.46) HCAR3LMNAPDK1KMT2A
Hydrochloric Acid SCHEMBL6560239 0.81 CASP6 (0.58) CASP6TSHRHCAR3LMNAPDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609107-B1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2024-12-11 EP disclosed
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2021-09-30 US disclosed
CN-103889999-B Ion labeling for oligoribonucleotide synthesis 皇家学习促进学会/麦吉尔大学 2021-06-01 CN disclosed
US-11014948-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2021-05-25 US disclosed
EP-2748176-B1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2019-04-17 EP disclosed
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 US disclosed
EP-2748176-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES The Royal Institution for the Advancement of Learning / McGill University (CA) 2014-07-02 EP disclosed
EP-2609107-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES The Royal Institution for the Advancement of Learning / McGill University (CA) 2013-07-03 EP disclosed
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11014948-B2 Ionic tags for synthesis of oligoribonucleotides RNGTT, OSTC, DTYMK CASP6 4720/4885TSHR 2662/4885HCAR3 3233/4885
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES RNGTT, OSTC, DTYMK CASP6 4720/4885TSHR 2662/4885HCAR3 3233/4885
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP CASP6 4679/4885TSHR 2718/4885HCAR3 3334/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.